| TKN | 表記: | methyl 2-methoxy-6-[(~{E})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate | 組成式: | C30 H36 N2 O3 | SMILES: | COC(=O)c1c(CCCCCC=CCNc2c3CCCCc3nc4ccccc24)cccc1OC | InChi: | InChI=1S/C30H36N2O3/c1-34-27-20-13-15-22(28(27)30(33)35-2)14-7-5-3-4-6-12-21-31-29-23-16-8-10-18-25(23)32-26-19-11-9-17-24(26)29/h6,8,10,12-13,15-16,18,20H,3-5,7,9,11,14,17,19,21H2,1-2H3,(H,31,32)/b12-6+ | 定義日: | 2021-01-07 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | methyl 2-methoxy-6-[(~{E})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate |
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| S1Q | 表記: | (5~{Z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{E})-2-pyridin-4-ylethenyl]imidazol-4-one | 組成式: | C19 H17 N3 O3 | SMILES: | COc1cc(O)ccc1C=C2N=C(C=Cc3ccncc3)N(C)C2=O | InChi: | InChI=1S/C19H17N3O3/c1-22-18(6-3-13-7-9-20-10-8-13)21-16(19(22)24)11-14-4-5-15(23)12-17(14)25-2/h3-12,23H,1-2H3/b6-3+,16-11- | 定義日: | 2020-11-05 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | (5~{Z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{E})-2-pyridin-4-ylethenyl]imidazol-4-one |
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| Z5D | 表記: | (2E)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid | 組成式: | C24 H18 N4 O4 S | SMILES: | [O-][N+](=O)c1ccccc1C/C(=NNc1nc(cs1)c1ccc(cc1)c1ccccc1)C(=O)O | InChi: | InChI=1S/C24H18N4O4S/c29-23(30)20(14-19-8-4-5-9-22(19)28(31)32)26-27-24-25-21(15-33-24)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,15H,14H2,(H,25,27)(H,29,30)/b26-20+ | 定義日: | 2021-04-08 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | (2E)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid |
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| UKQ | 表記: | (1R,6S)-5beta-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2beta,3beta,4alpha-triol | 組成式: | C7 H12 O5 | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[CH]12 | InChi: | InChI=1S/C7H12O5/c8-1-2-3(9)4(10)5(11)7-6(2)12-7/h2-11H,1H2/t2-,3-,4+,5+,6+,7-/m1/s1 | 別名: | (1~{R},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol | 定義日: | 2021-02-28 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | (1~{R},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol |
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| U5V | 表記: | 1-(2-fluorophenyl)methanamine | 組成式: | C7 H8 F N | SMILES: | C(N)c1c(F)cccc1 | InChi: | InChI=1S/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2 | 定義日: | 2020-04-23 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | 1-(2-fluorophenyl)methanamine |
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| UKT | 表記: | (1R,2R,3R,4S,5R)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol | 組成式: | C7 H14 O5 | SMILES: | OC[CH]1[CH](O)C[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C7H14O5/c8-2-3-4(9)1-5(10)7(12)6(3)11/h3-12H,1-2H2/t3-,4+,5+,6+,7+/m0/s1 | 別名: | (1~{R},2~{R},3~{R},4~{S},5~{R})-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol | 定義日: | 2021-02-28 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | (1~{R},2~{R},3~{R},4~{S},5~{R})-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol |
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| U5Y | 表記: | (12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide | 組成式: | C39 H39 F N4 O5 | SMILES: | C2(CCc1cccc(c1)Oc6ccc(CC(NC(C(N2)CC(N4CCCC4c3ccccc3)=O)=O)C(=O)NCc5c(F)cccc5)cc6)=O | InChi: | InChI=1S/C39H39FN4O5/c40-32-13-5-4-11-29(32)25-41-38(47)33-23-27-15-18-30(19-16-27)49-31-12-6-8-26(22-31)17-20-36(45)42-34(39(48)43-33)24-37(46)44-21-7-14-35(44)28-9-2-1-3-10-28/h1-6,8-13,15-16,18-19,22,33-35H,7,14,17,20-21,23-25H2,(H,41,47)(H,42,45)(H,43,48)/t33-,34-,35+/m0/s1 | 定義日: | 2020-04-23 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | (12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide |
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| YNV | 表記: | 17alpha-hydroxy-7alpha-[(2Z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one | 組成式: | C42 H60 O4 | SMILES: | O=C1CCC2(C)C3CCC4(C)C(O)CCC4C3C(CC2=C1)CC=C/CC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC3O)C21 | InChi: | InChI=1S/C42H60O4/c1-39-17-13-29(43)23-27(39)21-25(37-31-9-11-35(45)41(31,3)19-15-33(37)39)7-5-6-8-26-22-28-24-30(44)14-18-40(28,2)34-16-20-42(4)32(38(26)34)10-12-36(42)46/h5-6,23-26,31-38,45-46H,7-22H2,1-4H3/b6-5-/t25-,26-,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+/m1/s1 | 定義日: | 2021-03-15 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | 17alpha-hydroxy-7alpha-[(2Z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one |
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| Z7P | 表記: | (2R,3R,4S,5S,6R)-3,4-dihydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) | 組成式: | C23 H33 N4 O20 P3 | SMILES: | O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OC(C)C(/N=C/c3c(COP(=O)(O)O)cnc(C)c3O)C(O)C2O)C(O)C1O | InChi: | InChI=1S/C23H33N4O20P3/c1-9-16(29)12(11(5-24-9)7-42-48(35,36)37)6-25-15-10(2)44-22(20(33)18(15)31)46-50(40,41)47-49(38,39)43-8-13-17(30)19(32)21(45-13)27-4-3-14(28)26-23(27)34/h3-6,10,13,15,17-22,29-33H,7-8H2,1-2H3,(H,38,39)(H,40,41)(H,26,28,34)(H2,35,36,37)/b25-6+/t10-,13-,15-,17-,18+,19-,20-,21-,22-/m1/s1 | 定義日: | 2021-04-12 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | (2R,3R,4S,5S,6R)-3,4-dihydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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| SKW | 表記: | ~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide | 組成式: | C17 H17 Br N4 O S | SMILES: | C[C]1(CCSC(=N1)N)c2cccc(NC(=O)c3ccc(Br)cn3)c2 | InChi: | InChI=1S/C17H17BrN4OS/c1-17(7-8-24-16(19)22-17)11-3-2-4-13(9-11)21-15(23)14-6-5-12(18)10-20-14/h2-6,9-10H,7-8H2,1H3,(H2,19,22)(H,21,23)/t17-/m0/s1 | 別名: | (S)-N-(3-(2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl)phenyl)-5-bromopicolinamide | 定義日: | 2020-11-24 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | ~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide |
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| SL8 | 表記: | ~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide | 組成式: | C19 H18 Br F3 N4 O2 | SMILES: | C[C]1(CO[C](C)(C(=N1)N)C(F)(F)F)c2cccc(NC(=O)c3ccc(Br)cn3)c2 | InChi: | InChI=1S/C19H18BrF3N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)11-4-3-5-13(8-11)26-15(28)14-7-6-12(20)9-25-14/h3-9H,10H2,1-2H3,(H2,24,27)(H,26,28)/t17-,18+/m0/s1 | 定義日: | 2020-11-25 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | ~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide |
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| SLK | 表記: | ~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide | 組成式: | C21 H19 F4 N5 O2 | SMILES: | Cc1cc(cnc1C(=O)Nc2ccc(F)c(c2)[C]3(C)CO[C](C)(C(=N3)N)C(F)(F)F)C#N | InChi: | InChI=1S/C21H19F4N5O2/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)19(2)10-32-20(3,18(27)30-19)21(23,24)25/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1 | 定義日: | 2020-11-25 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | ~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide |
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| WE4 | 表記: | 2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid | 組成式: | C8 H2 Br4 O4 | SMILES: | C(O)(c1c(c(c(C(O)=O)c(Br)c1Br)Br)Br)=O | InChi: | InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16) | 定義日: | 2020-10-20 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | 2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid |
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| P4Q | 表記: | pyrido[3,2-d]pyrimidin-4-amine | 組成式: | C7 H6 N4 | SMILES: | Nc1ncnc2cccnc12 | InChi: | InChI=1S/C7H6N4/c8-7-6-5(10-4-11-7)2-1-3-9-6/h1-4H,(H2,8,10,11) | 定義日: | 2020-04-15 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | pyrido[3,2-d]pyrimidin-4-amine |
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| P4W | 表記: | ~{N},~{N}-dimethylisoquinoline-5-sulfonamide | 組成式: | C11 H12 N2 O2 S | SMILES: | CN(C)[S](=O)(=O)c1cccc2cnccc12 | InChi: | InChI=1S/C11H12N2O2S/c1-13(2)16(14,15)11-5-3-4-9-8-12-7-6-10(9)11/h3-8H,1-2H3 | 定義日: | 2020-04-15 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | ~{N},~{N}-dimethylisoquinoline-5-sulfonamide |
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| P75 | 表記: | 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide | 組成式: | C19 H22 N6 O7 S | SMILES: | CC1=CN([CH]2C[CH]([CH](CO)O2)n3cc(COc4ccc(cc4)[S](N)(=O)=O)nn3)C(=O)NC1=O | InChi: | InChI=1S/C19H22N6O7S/c1-11-7-24(19(28)21-18(11)27)17-6-15(16(9-26)32-17)25-8-12(22-23-25)10-31-13-2-4-14(5-3-13)33(20,29)30/h2-5,7-8,15-17,26H,6,9-10H2,1H3,(H2,20,29,30)(H,21,27,28)/t15-,16+,17+/m0/s1 | 定義日: | 2020-04-16 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide |
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| PBW | 表記: | (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol | 組成式: | C7 H14 O6 | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4+,5+,6-,7- | 定義日: | 2020-04-20 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol |
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| QE8 | 表記: | (1~{R},2~{R},3~{R},4~{S},5~{R})-4-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol | 組成式: | C14 H26 O9 | SMILES: | OC[CH]1C[CH](OC[CH]2[CH](O)C[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C14H26O9/c15-3-5-1-9(13(21)14(22)10(5)18)23-4-6-7(16)2-8(17)12(20)11(6)19/h5-22H,1-4H2/t5-,6+,7-,8-,9+,10-,11-,12-,13-,14+/m1/s1 | 定義日: | 2020-06-10 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | (1~{R},2~{R},3~{R},4~{S},5~{R})-4-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol |
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| G9C | 表記: | N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide | 組成式: | C24 H18 F3 N3 O | SMILES: | C[CH](NC(=O)c1cnc2c(cccc2c3ccc(cc3)C(F)(F)F)c1)c4ccccn4 | InChi: | InChI=1S/C24H18F3N3O/c1-15(21-7-2-3-12-28-21)30-23(31)18-13-17-5-4-6-20(22(17)29-14-18)16-8-10-19(11-9-16)24(25,26)27/h2-15H,1H3,(H,30,31)/t15-/m0/s1 | 定義日: | 2020-08-06 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | ~{N}-[(1~{S})-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide |
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| 03A | 表記: | (3S)-3-amino-N-cyclopropyl-2-oxohexanamide | 組成式: | C9 H16 N2 O2 | SMILES: | O=C(C(=O)NC1CC1)C(N)CCC | InChi: | InChI=1S/C9H16N2O2/c1-2-3-7(10)8(12)9(13)11-6-4-5-6/h6-7H,2-5,10H2,1H3,(H,11,13)/t7-/m0/s1 | 定義日: | 2011-08-08 | 最終更新日: | 2021-04-23 | 公開日: | 2012-08-31 | 識別子(ID): | (3S)-3-amino-N-cyclopropyl-2-oxohexanamide |
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| KTE | 表記: | (2~{S},3~{R})-4-[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol | 組成式: | C10 H20 O9 | SMILES: | OC[CH](O)[CH](O)CO[C]1(CO)O[CH](CO)[CH](O)[CH]1O | InChi: | InChI=1S/C10H20O9/c11-1-5(14)6(15)3-18-10(4-13)9(17)8(16)7(2-12)19-10/h5-9,11-17H,1-4H2/t5-,6+,7+,8+,9-,10+/m0/s1 | 定義日: | 2019-06-20 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | (2~{S},3~{R})-4-[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol |
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| FN6 | 表記: | (2S)-2-azanyl-4-[[(2R)-3-(1H-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid | 組成式: | C10 H16 N4 O4 | SMILES: | N[CH](CCN[CH](Cc1c[nH]cn1)C(O)=O)C(O)=O | InChi: | InChI=1S/C10H16N4O4/c11-7(9(15)16)1-2-13-8(10(17)18)3-6-4-12-5-14-6/h4-5,7-8,13H,1-3,11H2,(H,12,14)(H,15,16)(H,17,18)/t7-,8+/m0/s1 | 定義日: | 2020-06-08 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | (2~{S})-2-azanyl-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid |
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| FQ0 | 表記: | 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol | 組成式: | C18 H32 O3 | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCOC(CO)CO | InChi: | InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-18(13-19)14-20/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+ | 定義日: | 2020-06-12 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | 2-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol |
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| FQF | 表記: | (2R)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol | 組成式: | C18 H32 O3 | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO | InChi: | InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-14-18(20)13-19/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+/t18-/m1/s1 | 定義日: | 2020-06-15 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | (2~{R})-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol |
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| FV3 | 表記: | (2S)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol | 組成式: | C18 H32 O3 | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO | InChi: | InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-14-18(20)13-19/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+/t18-/m0/s1 | 定義日: | 2020-06-17 | 最終更新日: | 2021-04-23 | 公開日: | 2021-04-28 | 識別子(ID): | (2~{S})-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol |
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